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Home > Imidazoles > 89446-76-4
89446-76-4 | 2-Imidazolidinone, 1-[2-(methylthio)ethyl]-4-phenyl-
CAS No: 89446-76-4 Catalog No: AG0043EI MDL No:
Product Description
Catalog Number:
AG0043EI
Chemical Name:
2-Imidazolidinone, 1-[2-(methylthio)ethyl]-4-phenyl-
CAS Number:
89446-76-4
Molecular Formula:
C12H16N2OS
Molecular Weight:
236.3332
IUPAC Name:
1-(2-methylsulfanylethyl)-4-phenylimidazolidin-2-one
InChI:
InChI=1S/C12H16N2OS/c1-16-8-7-14-9-11(13-12(14)15)10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,13,15)
InChI Key:
IZFCJBVYODRRRU-UHFFFAOYSA-N
SMILES:
CSCCN1CC(NC1=O)c1ccccc1
Properties
Complexity:
241
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.098g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.333g/mol
Monoisotopic Mass:
236.098g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
57.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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